CID 12050590

Methyl({2-[4-(trifluoromethyl)phenoxy]ethyl})amine hydrochloride

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CNCCOC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H12F3NO/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKey
CTJMZUIJSJYWQJ-UHFFFAOYSA-N
Compound name
N-methyl-2-[4-(trifluoromethyl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

219.0871 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.094376 144.0
[M+Na]+ 242.076318 151.7
[M-H]- 218.079824 143.8
[M+NH4]+ 237.120923 162.4
[M+K]+ 258.050258 149.1
[M+H-H2O]+ 202.084360 135.5
[M+HCOO]- 264.085301 164.7
[M+CH3COO]- 278.100951 190.3
[M+Na-2H]- 240.061766 150.1
[M]+ 219.08655142 141.2
[M]- 219.08764858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe